1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-2-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridyl)methyl]isonipecotic acid Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3

InChI

InChI=1S/C19H18ClF3N2O2/c20-15-5-4-13(11-14(15)19(21,22)23)17(16-3-1-2-8-24-16)25-9-6-12(7-10-25)18(26)27/h1-5,8,11-12,17H,6-7,9-10H2,(H,26,27)